Matches in DBpedia 2015-10 for { <http://dbpedia.org/resource/MOLPRO> ?p ?o }
Showing triples 1 to 62 of
62
with 100 triples per page.
- MOLPRO abstract "MOLPRO is a software package used for accurate ab initio quantum chemistry calculations. It is developed by Peter Knowles at Cardiff University and Hans-Joachim Werner at Universität Stuttgart in collaboration with other authors.The emphasis in the program is on highly accurate computations, with extensive treatment of the electron correlation problem through the multireference configuration interaction, coupled cluster and associated methods. Integral-direct local electron correlation methods reduce the increase of the computational cost with molecular size. Accurate ab initio calculations can then be performed for larger molecules. With new explicitly correlated methods the basis set limit can be very closely approached.".
- MOLPRO genre Computational_chemistry.
- MOLPRO thumbnail Molpro_logo_aa_75.png?width=300.
- MOLPRO wikiPageExternalLink www.molpro.net.
- MOLPRO wikiPageID "638971".
- MOLPRO wikiPageLength "2806".
- MOLPRO wikiPageOutDegree "25".
- MOLPRO wikiPageRevisionID "678177590".
- MOLPRO wikiPageWikiLink Ab_initio_quantum_chemistry_methods.
- MOLPRO wikiPageWikiLink Basis_set_(chemistry).
- MOLPRO wikiPageWikiLink CP2K.
- MOLPRO wikiPageWikiLink Cardiff_University.
- MOLPRO wikiPageWikiLink Category:Computational_chemistry_software.
- MOLPRO wikiPageWikiLink Computational_chemistry.
- MOLPRO wikiPageWikiLink Coupled_cluster.
- MOLPRO wikiPageWikiLink Electronic_correlation.
- MOLPRO wikiPageWikiLink File:Molpro_logo_aa_75.png.
- MOLPRO wikiPageWikiLink GAMESS.
- MOLPRO wikiPageWikiLink Gaussian_(software).
- MOLPRO wikiPageWikiLink Global_Arrays.
- MOLPRO wikiPageWikiLink Grace_(plotting_tool).
- MOLPRO wikiPageWikiLink List_of_quantum_chemistry_and_solid-state_physics_software.
- MOLPRO wikiPageWikiLink MOLCAS.
- MOLPRO wikiPageWikiLink MPQC.
- MOLPRO wikiPageWikiLink Multireference_configuration_interaction.
- MOLPRO wikiPageWikiLink NWChem.
- MOLPRO wikiPageWikiLink PQS_(chemical).
- MOLPRO wikiPageWikiLink PSI_(computational_chemistry).
- MOLPRO wikiPageWikiLink Q-Chem.
- MOLPRO wikiPageWikiLink Quantum_chemistry.
- MOLPRO wikiPageWikiLink Quantum_chemistry_computer_programs.
- MOLPRO wikiPageWikiLink TURBOMOLE.
- MOLPRO wikiPageWikiLink TeraChem.
- MOLPRO wikiPageWikiLink University_of_Stuttgart.
- MOLPRO wikiPageWikiLink Universität_Stuttgart.
- MOLPRO wikiPageWikiLinkText "MOLPRO".
- MOLPRO genre Computational_chemistry.
- MOLPRO hasPhotoCollection MOLPRO.
- MOLPRO license "proprietary".
- MOLPRO wikiPageUsesTemplate Template:Chem-stub.
- MOLPRO wikiPageUsesTemplate Template:Columns-list.
- MOLPRO wikiPageUsesTemplate Template:Infobox_software.
- MOLPRO wikiPageUsesTemplate Template:Science-software-stub.
- MOLPRO subject Category:Computational_chemistry_software.
- MOLPRO hypernym Package.
- MOLPRO type Article.
- MOLPRO type Software.
- MOLPRO type Work.
- MOLPRO type Article.
- MOLPRO type CreativeWork.
- MOLPRO type Thing.
- MOLPRO type Q386724.
- MOLPRO type Q7397.
- MOLPRO comment "MOLPRO is a software package used for accurate ab initio quantum chemistry calculations. It is developed by Peter Knowles at Cardiff University and Hans-Joachim Werner at Universität Stuttgart in collaboration with other authors.The emphasis in the program is on highly accurate computations, with extensive treatment of the electron correlation problem through the multireference configuration interaction, coupled cluster and associated methods.".
- MOLPRO label "MOLPRO".
- MOLPRO sameAs m.02zh7_.
- MOLPRO sameAs Q6717040.
- MOLPRO sameAs Q6717040.
- MOLPRO wasDerivedFrom MOLPRO?oldid=678177590.
- MOLPRO depiction Molpro_logo_aa_75.png.
- MOLPRO homepage www.molpro.net.
- MOLPRO isPrimaryTopicOf MOLPRO.